6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine

C14H15ClN2O — CID 113431252

IUPAC6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
SMILESCOc1cccc(CNc2cnc(Cl)cc2C)c1
InChIInChI=1S/C14H15ClN2O/c1-10-6-14(15)17-9-13(10)16-8-11-4-3-5-12(7-11)18-2/h3-7,9,16H,8H2,1-2H3
InChIKeyHKHHVTGOVVDJTK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.66
Rot. Bonds4

About 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine

6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 113431252) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
PubChem CID113431252
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
SMILESCOc1cccc(CNc2cnc(Cl)cc2C)c1
InChIInChI=1S/C14H15ClN2O/c1-10-6-14(15)17-9-13(10)16-8-11-4-3-5-12(7-11)18-2/h3-7,9,16H,8H2,1-2H3
InChIKeyHKHHVTGOVVDJTK-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine (CID 113431252) is 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine is COc1cccc(CNc2cnc(Cl)cc2C)c1.
What is the InChIKey of 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is HKHHVTGOVVDJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-6-14(15)17-9-13(10)16-8-11-4-3-5-12(7-11)18-2/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 262.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 113431252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).